3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane

C10H18O — CID 174682526

IUPAC3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
SMILESC=CCC1(C)OCC1(C)CC
InChIInChI=1S/C10H18O/c1-5-7-10(4)9(3,6-2)8-11-10/h5H,1,6-8H2,2-4H3
InChIKeyVUNDXJCNEUIFPB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

About 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane

3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane (PubChem CID 174682526) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane.

Molecular Properties

Compound Name3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
PubChem CID174682526
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
SMILESC=CCC1(C)OCC1(C)CC
InChIInChI=1S/C10H18O/c1-5-7-10(4)9(3,6-2)8-11-10/h5H,1,6-8H2,2-4H3
InChIKeyVUNDXJCNEUIFPB-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
3-ethyl-3-prop-2-enyloxetane
CID 68640910
2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
CID 79734892
(2S,3S,4aS,8aS)-2,3-dimethyl-2,3-bis(prop-2-enyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine
CID 11322682
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972
2-prop-2-enyloxirane-2-thiol
CID 173350724
1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
CID 70399256
5-hept-2-ynyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 135022231
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 67995672
[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
CID 11405224

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane?
The IUPAC name of 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane (CID 174682526) is 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane.
What is the SMILES notation for 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane?
The canonical SMILES for 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane is C=CCC1(C)OCC1(C)CC.
What is the InChIKey of 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane?
The InChIKey is VUNDXJCNEUIFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-10(4)9(3,6-2)8-11-10/h5H,1,6-8H2,2-4H3.
What are the key properties of 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane?
3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane is sourced from PubChem (CID 174682526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).